(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C19H20N2O3 — CID 31521568

IUPAC(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-16-10-7-12(11-17(16)24-2)18-20-15-6-4-3-5-14(15)19(22)21(18)13-8-9-13/h3-7,10-11,13,18,20H,8-9H2,1-2H3/t18-/m0/s1
InChIKeySOMXKDUJZGKTTA-SFHVURJKSA-N
MW324.38 g/mol
LogP3.43
Rot. Bonds4

About (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 31521568) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID31521568
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC
InChIInChI=1S/C19H20N2O3/c1-23-16-10-7-12(11-17(16)24-2)18-20-15-6-4-3-5-14(15)19(22)21(18)13-8-9-13/h3-7,10-11,13,18,20H,8-9H2,1-2H3/t18-/m0/s1
InChIKeySOMXKDUJZGKTTA-SFHVURJKSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(2S)-3-cyclopropyl-2-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 41219072
(2S)-3-cyclopropyl-2-(3-ethoxy-4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008714
4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxy-6-nitrophenolate
CID 9012101
(2S)-3-[(2S)-butan-2-yl]-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008031
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
(2R)-2-[1-benzyl-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-3-cyclopropyl-1,2-dihydroquinazolin-4-one
CID 41209592

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 31521568) is (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one is COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC.
What is the InChIKey of (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is SOMXKDUJZGKTTA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-16-10-7-12(11-17(16)24-2)18-20-15-6-4-3-5-14(15)19(22)21(18)13-8-9-13/h3-7,10-11,13,18,20H,8-9H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 31521568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).